Name: Name:1,4-Phenylenediacetic acid
Brand: Angene
SKU: AG0032N5
Rating: 90 (10 reviews)

Catalog Number:

AG0032N5

Chemical Name:

1,4-Phenylenediacetic acid

CAS Number:

7325-46-4

Molecular Formula:

C10H10O4

Molecular Weight:

194.1840

MDL Number:

MFCD00004354

IUPAC Name:

2-[4-(carboxymethyl)phenyl]acetic acid

InChI:

InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChI Key:

SLWIPPZWFZGHEU-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1ccc(cc1)CC(=O)O

EC Number:

230-801-2

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.186g/mol

Monoisotopic Mass:

194.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Title	Journal
A fivefold interpenetrating diamond-like three-dimensional metal-organic framework: poly[(μ2-benzene-1,4-diacetato)[μ2-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)].	Acta crystallographica. Section C, Crystal structure communications 20121101
catena-Poly[[(triaqua-cadmium)-μ-1,4-phenyl-enediacetato-κO,O':O'',O'''] dihydrate].	Acta crystallographica. Section E, Structure reports online 20111201
Poly[(μ3-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ3-benzene-1,4-diacetate)] double chains.	Acta crystallographica. Section C, Crystal structure communications 20110601
A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ5-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)].	Acta crystallographica. Section C, Crystal structure communications 20110501
4,4'-Bipyridinium 1,4-phenyl-ene-diacetate.	Acta crystallographica. Section E, Structure reports online 20091001
Cobalt(II) sheet-like systems based on diacetic ligands: from subtle structural variances to different magnetic behaviors.	Inorganic chemistry 20090706
Synthesis of new self-assembled PdII and PtII rectangular metallomacrocycles: a comparative study of their inclusion complexes.	Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
Interpretation of solute retention of some monovalent inorganic anions in anion-exchange chromatography using a dicarboxylic Acid as an eluent.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20060501
A novel nickel(II) coordination polymer incorporating 1,4-phenylenediacetic acid and 1,10-phenanthroline.	Acta crystallographica. Section C, Crystal structure communications 20060201
Porous lanthanide-organic frameworks: synthesis, characterization, and unprecedented gas adsorption properties.	Journal of the American Chemical Society 20030312